SCHEMBL9711658

SCHEMBL9711658

O=C1CC(c2ccccc2)NC(=O)C1C(=O)c1ccccc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
MGLL Q99685 2/20 0.39
LDHA P00338 1/20 0.39
OPRM1 P35372 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
SLC6A1 P30531 2/20 0.35
SCD O00767 1/20 0.35
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9711787 0.85 LDHA (0.41) LDHA
SCHEMBL9711749 0.82 LMNA (0.38) MGLL
SCHEMBL9711595 0.82 HCRTR1 (0.40) LDHAHCRTR1
SCHEMBL9711629 0.81 ALDH1A1 (0.38) HSD11B1LDHABRD4
SCHEMBL9711543 0.79 LDHA (0.44) LDHABRD4
SCHEMBL9711474 0.79 HSD11B1 (0.42) HSD11B1MGLL
SCHEMBL9711557 0.78 ALDH1A1 (0.39) MGLLLDHABRD4
SCHEMBL9711646 0.78 ITGB1 (0.42) LDHABRD4
SCHEMBL9711577 0.78 SMN1; SMN2 (0.37) MGLLLDHABRD4
SCHEMBL9711591 0.78 MAPT (0.39) LDHAHCRTR1HCRTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed